1-[4-(aminomethyl)phenyl]-N-(cyclohexylmethyl)methanesulfonamide

C15H24N2O2S — CID 43371562

IUPAC1-[4-(aminomethyl)phenyl]-N-(cyclohexylmethyl)methanesulfonamide
SMILESNCc1ccc(CS(=O)(=O)NCC2CCCCC2)cc1
InChIInChI=1S/C15H24N2O2S/c16-10-13-6-8-15(9-7-13)12-20(18,19)17-11-14-4-2-1-3-5-14/h6-9,14,17H,1-5,10-12,16H2
InChIKeyIOQCXBSDHLJQQO-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.14
Rot. Bonds6

About 1-[4-(aminomethyl)phenyl]-N-(cyclohexylmethyl)methanesulfonamide

1-[4-(aminomethyl)phenyl]-N-(cyclohexylmethyl)methanesulfonamide (PubChem CID 43371562) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-N-(cyclohexylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-N-(cyclohexylmethyl)methanesulfonamide
PubChem CID43371562
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name1-[4-(aminomethyl)phenyl]-N-(cyclohexylmethyl)methanesulfonamide
SMILESNCc1ccc(CS(=O)(=O)NCC2CCCCC2)cc1
InChIInChI=1S/C15H24N2O2S/c16-10-13-6-8-15(9-7-13)12-20(18,19)17-11-14-4-2-1-3-5-14/h6-9,14,17H,1-5,10-12,16H2
InChIKeyIOQCXBSDHLJQQO-UHFFFAOYSA-N
XLogP2.14
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(aminomethyl)phenyl]-N-(cyclopentylmethyl)methanesulfonamide
CID 54885869
1-[4-(aminomethyl)phenyl]-N-(oxan-4-ylmethyl)methanesulfonamide
CID 63713652
3-(cyclohexylmethylsulfamoylmethyl)benzenecarbothioamide
CID 61000252
4-(aminomethyl)-N-(cyclohexylmethyl)-2-methylbenzenesulfonamide
CID 106996679
1-(4-aminophenyl)-N-[(3-hydroxycyclohexyl)methyl]methanesulfonamide
CID 106119368
N-(cyclohexylmethyl)ethanesulfonamide
CID 6466313
1-[3-(aminomethyl)phenyl]-N-(thiolan-3-ylmethyl)methanesulfonamide
CID 106089007
1-[4-(aminomethyl)phenyl]-N-(1,4-dioxan-2-ylmethyl)methanesulfonamide
CID 61023167
3-(aminomethyl)-N-(cyclopropylmethyl)benzenesulfonamide
CID 16794301
4-(aminomethyl)-N-(cyclohexylmethyl)-3-methylbenzenesulfonamide
CID 106919131
2-[4-(aminomethyl)phenoxy]-N-(cyclopentylmethyl)acetamide
CID 43370712
N-(cyclohexylmethyl)-4-ethylbenzenesulfonamide
CID 3776153

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-N-(cyclohexylmethyl)methanesulfonamide?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-N-(cyclohexylmethyl)methanesulfonamide (CID 43371562) is 1-[4-(aminomethyl)phenyl]-N-(cyclohexylmethyl)methanesulfonamide.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-N-(cyclohexylmethyl)methanesulfonamide?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-N-(cyclohexylmethyl)methanesulfonamide is NCc1ccc(CS(=O)(=O)NCC2CCCCC2)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-N-(cyclohexylmethyl)methanesulfonamide?
The InChIKey is IOQCXBSDHLJQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c16-10-13-6-8-15(9-7-13)12-20(18,19)17-11-14-4-2-1-3-5-14/h6-9,14,17H,1-5,10-12,16H2.
What are the key properties of 1-[4-(aminomethyl)phenyl]-N-(cyclohexylmethyl)methanesulfonamide?
1-[4-(aminomethyl)phenyl]-N-(cyclohexylmethyl)methanesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-N-(cyclohexylmethyl)methanesulfonamide is sourced from PubChem (CID 43371562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).